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William Lafargue-Dit-Hauret
Researcher at University of Rennes
Publications - 19
Citations - 607
William Lafargue-Dit-Hauret is an academic researcher from University of Rennes. The author has contributed to research in topics: Chemistry & Density functional theory. The author has an hindex of 7, co-authored 12 publications receiving 301 citations. Previous affiliations of William Lafargue-Dit-Hauret include University of Liège & University of Nantes.
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Journal ArticleDOI
The Abinit project: Impact, environment and recent developments
Xavier Gonze,Bernard Amadon,Gabriel Antonius,Frédéric Arnardi,Lucas Baguet,Lucas Baguet,Jean-Michel Beuken,Jordan Bieder,François Bottin,J. Bouchet,Eric Bousquet,Nils Brouwer,Fabien Bruneval,Guillaume Brunin,Théo Cavignac,Jean-Baptiste Charraud,Wei Chen,Michel Côté,Stefaan Cottenier,Jules Denier,Grégory Geneste,Philippe Ghosez,Matteo Giantomassi,Yannick Gillet,Olivier Gingras,D. R. Hamann,Geoffroy Hautier,Xu He,Nicole Helbig,Natalie Holzwarth,Yongchao Jia,F. Jollet,William Lafargue-Dit-Hauret,Kurt Lejaeghere,Miguel A. L. Marques,Alexandre Martin,Cyril Martins,Henrique Pereira Coutada Miranda,Francesco Naccarato,Kristin A. Persson,Kristin A. Persson,Guido Petretto,Valentin Planes,Yann Pouillon,Sergei Prokhorenko,Fabio Ricci,Gian-Marco Rignanese,Alessandra Romero,Michael Marcus Schmitt,Marc Torrent,Michiel van Setten,Michiel van Setten,Benoit Van Troeye,Matthieu J. Verstraete,G. Zérah,Josef W. Zwanziger +55 more
TL;DR: An analysis of the impact that Abinit has had, through for example the bibliometric indicators of the 2009 publication, and the new capabilities of abinit that have been implemented during the last three years are covered, complementing a recent update of the2009 article published in 2016.
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Efficient and accurate calculation of band gaps of halide perovskites with the Tran-Blaha modified Becke-Johnson potential
Boubacar Traore,Gaëlle Bouder,William Lafargue-Dit-Hauret,Xavier Rocquefelte,Claudine Katan,Fabien Tran,Mikael Kepenekian +6 more
TL;DR: In this paper, a reoptimization of the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential dedicated to the prediction of the band gaps of 3D and layered hybrid organic-inorganic perovskites (HOP) within pseudopotential-based density functional theory methods is reported.
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Thermodynamic Evidence of Proximity to a Kitaev Spin Liquid in Ag 3 LiIr 2 O 6
Faranak Bahrami,William Lafargue-Dit-Hauret,William Lafargue-Dit-Hauret,Oleg I. Lebedev,Roman Movshovich,Hung-Yu Yang,David Broido,Xavier Rocquefelte,Fazel Tafti +8 more
TL;DR: An enhanced spin-orbit coupling due to a mixing between silver d and oxygen p orbitals as a potential underlying mechanism is discussed and a closer proximity to the QSL in Ag_{3}LiIr{2}O_{6} compared to its parent compound α-Li_{2}IrO{3} that orders at 15 K.
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LiNbO3-Type InFeO3: Room-Temperature Polar Magnet without Second-Order Jahn–Teller Active Ions
Koji Fujita,Takahiro Kawamoto,Ikuya Yamada,Olivier Hernandez,Naoaki Hayashi,Hirofumi Akamatsu,Hirofumi Akamatsu,William Lafargue-Dit-Hauret,Xavier Rocquefelte,Masafumi Fukuzumi,Pascal Manuel,Andrew J Studer,Christopher S. Knee,Katsuhisa Tanaka +13 more
TL;DR: LiNbO3-type InFeO3 was obtained as a metastable quench product from an orthorhombic perovskite phase stabilized at 15 GPa and an elevated temperature as mentioned in this paper.
Journal ArticleDOI
Coexistence of static and dynamic magnetism in the Kitaev spin liquid material Cu 2 IrO 3
Eric Kenney,Carlo U. Segre,William Lafargue-Dit-Hauret,Oleg I. Lebedev,Mykola Abramchuk,Adam Berlie,Stephen Cottrell,Gediminas Simutis,Faranak Bahrami,Natalia E. Mordvinova,G. Fabbris,Jessica L. McChesney,Daniel Haskel,Xavier Rocquefelte,Michael Graf,Fazel Tafti +15 more
TL;DR: In this paper, the ground state of the Kitaev spin liquid of Cu2IrO3 was uncovered by using muon spin relaxation to uncover the magnetic ground state.